SCHEMBL2875622

SCHEMBL2875622

COC(=O)C(OC)Oc1ccc2ncc(I)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
F2 P00734 1/20 0.45
GLA P06280 1/20 0.45
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
HPGDS O60760 3/20 0.36
EGFR P00533 1/20 0.35
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
MET P08581 5/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
POLB P06746 1/20 0.34
KDR P35968 3/20 0.33
AURKA O14965 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2220295 0.91 ALDH1A1 (0.44) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL3616021 0.85 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL2223783 0.80 RECQL (0.39) KDM4ERECQL
SCHEMBL2221877 0.80 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL2878821 0.79 ALDH1A1 (0.40) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL534983 0.78 ALDH1A1 (0.35) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL534982 0.78 ALDH1A1 (0.35) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL27930034 0.76 PDGFRB (0.58) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL535370 0.75 ALDH1A1 (0.43) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL3604762 0.75 AR (0.45) ALDH1A1HPGDF2GLAPDGFRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 ALDH1A1 350/4885HPGD 3732/4885F2 4237/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.